트랜스-2,5-디메틸피롤리딘

2,5-Dimethylpyrrolidine, (2R,5R)-

HCID 641767CAS 39713-72-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C[C@@H]1CC[C@@H](C)N1
InChIKey: ZEBFPAXSQXIPNF-PHDIDXHHSA-N
분자식: C6H13N
평균 분자량: 99.17 g/mol
단동위원소 질량: 99.10479942

이름 및 식별자

우선 이름: 2,5-Dimethylpyrrolidine, (2R,5R)-
IUPAC: (2R,5R)-2,5-dimethylpyrrolidine
현지명: 트랜스-2,5-디메틸피롤리딘
영어명: trans-2,5-Dimethylpyrrolidine
분자식: C6H13N
분자량: 99.17

이름 및 동의어

(2R,5R)-2,5-dimethylpyrrolidine62617-70-3pyrrolidine, 2,5-dimethyl-, (2R,5R)-(2r,5r)-dimethylpyrrolidineC5354Q1C1X(-)-trans-2,5-Dimethylpyrrolidine2,5-Dimethylpyrrolidine, (2R,5R)-(2r,5r)-(-)-2,5-dimethylpyrrolidinePyrrolidine, 2,5-dimethyl-, (2R-trans)-DTXSID70348946RefChem:444612DTXCID60300018

이름 더 보기

트랜스-2,5-디메틸피롤리딘rel-2α*,5β*-Dimethylpyrrolidinerel-(2R*,5R*)-2,5-DimethylpyrrolidinePyrrolidine, 2,5-dimethyl-, (2R,5R)-rel-

InChI=1/C6H13N/c1-5-3-4-6(2)7-5/h5-7H,3-4H2,1-2H3/t5-,6-/m1/s39713-72-9Rel-(2R,5R)-2,5-dimethylpyrrolidinetrans-2,5-dimethylpyrrolidineUNII-C5354Q1C1X2,5-Dimethylpyrrolidine, trans-Pyrrolidine, 2,5-dimethyl-, trans-9252709XHC

데이터베이스 식별자

CAS: 39713-72-9、62617-70-3
PubChem CID: 641767
DTXSID: DTXSID70348946
UNII: 9252709XHC、C5354Q1C1X
EC Number: 635-208-6
Nikkaji: J445.446D

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 53.2

물리화학적 성질

끓는 점: 108 · 108-109 °C
밀도: 0.795 · 0.795±0.06 g/cm3(Predicted)
산도 계수 (pKa): 11.36 · 11.36±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.